Chem
J-GLOBAL ID:200907064825511863
Nikkaji number:J2.394.389A
Cryptoxanthin 5,6:5′,8′-diepoxide
クリプトキサンチン5,6:5′,8′-ジエポキシド
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C40 H56 O3
Molecular formula furigana:
C40-H56-O3
Molecular weight:
584.885
InChI:
InChI=1S/C40H56O3/c1-29(18-13-19-31(3)22-25-40-37(7,8)27-33(41)28-39(40,10)43-40)16-11-12-17-30(2)20-14-21-32(4)34-26-35-36(5,6)23-15-24-38(35,9)42-34/h11-14,16-22,25-26,33-34,41H,15,23-24,27-28H2,1-10H3/b12-11+,18-13+,20-14+,25-22+,29-16+,30-17+,31-19+,32-21+/t33-,34?,38?,39?,40?/m1/s1
InChI key:
RXRDUVZIGPRFRB-NYJOMXAZSA-N
SMILES:
C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C1OC2(C)CCCC(C)(C)C2=C1)/C=C/C=C(\C)/C=C/C12OC1(C)C[C@H](O)CC2(C)C
Systematic name (3):
(3R)-5,6:5′,8′-ジエポキシ-5′,8′-ジヒドロ-β,β-カロテン-3-オール
(3R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-(4,4,7a-トリメチル-2,4,5,6,7,7a-ヘキサヒドロ-1-ベンゾフラン-2-イル)-3,7,12-トリメチルヘプタデカ-1,3,5,7,9,11,13,15-オクタエン-1-イル]-1,5,5-トリメチル-7-オキサビシクロ[4.1.0]ヘプタン-3-オール
(3R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-(4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl)-3,7,12-trimethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
Other name (3):
(3R)-5,6:5′,8′-Diepoxy-5′,8′-dihydro-β,β-carotene-3-ol
クリプトキサンチン5,6:5′,8′-ジエポキシド
Cryptoxanthin 5,6:5′,8′-diepoxide
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